⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6037250 | 0.82 | — | — | |
| SCHEMBL5139831 | 0.76 | — | — | |
| Butane SCHEMBL9163524 | 0.75 | — | — | |
| SCHEMBL28642987 | 0.74 | — | — | |
| SCHEMBL28686149 | 0.74 | — | — | |
| SCHEMBL10453087 | 0.74 | — | — | |
| SCHEMBL23631725 | 0.73 | LAP3 (0.31) | — | |
| SCHEMBL134917 | 0.73 | — | — | |
| SCHEMBL27740020 | 0.72 | — | — | |
| SCHEMBL5029470 | 0.70 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2276510-A2 | CHEMICAL AND BIOCHEMICAL ADDUCTS AS BIOMARKERS FOR ORGANOPHOSPHATE EXPOSURE | Human Biomolecular Research Institute (US) | 2011-01-26 | — | — | EP | disclosed |
| WO-2010039163-A2 | CHEMICAL AND BIOCHEMICAL ADDUCTS AS BIOMARKERS FOR ORGANOPHOSPHATE EXPOSURE | HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) | 2010-04-08 | — | — | WO | disclosed |